2-cyclopropylacetic acid;ethane;2-methylpyridine

C13H21NO2 — CID 145428702

IUPAC2-cyclopropylacetic acid;ethane;2-methylpyridine
SMILESCC.Cc1ccccn1.O=C(O)CC1CC1
InChIInChI=1S/C6H7N.C5H8O2.C2H6/c1-6-4-2-3-5-7-6;6-5(7)3-4-1-2-4;1-2/h2-5H,1H3;4H,1-3H2,(H,6,7);1-2H3
InChIKeyZEMUOHKBCUKLLN-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.29
Rot. Bonds2

About 2-cyclopropylacetic acid;ethane;2-methylpyridine

2-cyclopropylacetic acid;ethane;2-methylpyridine (PubChem CID 145428702) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopropylacetic acid;ethane;2-methylpyridine.

Molecular Properties

Compound Name2-cyclopropylacetic acid;ethane;2-methylpyridine
PubChem CID145428702
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-cyclopropylacetic acid;ethane;2-methylpyridine
SMILESCC.Cc1ccccn1.O=C(O)CC1CC1
InChIInChI=1S/C6H7N.C5H8O2.C2H6/c1-6-4-2-3-5-7-6;6-5(7)3-4-1-2-4;1-2/h2-5H,1H3;4H,1-3H2,(H,6,7);1-2H3
InChIKeyZEMUOHKBCUKLLN-UHFFFAOYSA-N
XLogP3.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pyridin-4-yl)propanoic acid
CID 233243
1-(10-Carboxydecyl)pyridin-1-ium bromide
CID 16682529
2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
3-Pyridinebutanoic acid
CID 114
3-(Pyridin-2-yl)propanoic acid
CID 564292
2-Pyridineacetic acid
CID 85318
1-Pyridin-2-ylmethyl-piperidine-4-carboxylic acid hydrochloride
CID 16195169
2-Isopropenyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid
CID 13417325
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889
4-(3-Pyridyl)-3-butenoic acid
CID 5478892
6-[(Pyridin-4-ylmethyl)amino]hexanoic acid
CID 3240263
6-Phenyl-6-pyridin-3-yl-hex-5-enoic acid
CID 9816806

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylacetic acid;ethane;2-methylpyridine?
The IUPAC name of 2-cyclopropylacetic acid;ethane;2-methylpyridine (CID 145428702) is 2-cyclopropylacetic acid;ethane;2-methylpyridine.
What is the SMILES notation for 2-cyclopropylacetic acid;ethane;2-methylpyridine?
The canonical SMILES for 2-cyclopropylacetic acid;ethane;2-methylpyridine is CC.Cc1ccccn1.O=C(O)CC1CC1.
What is the InChIKey of 2-cyclopropylacetic acid;ethane;2-methylpyridine?
The InChIKey is ZEMUOHKBCUKLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H8O2.C2H6/c1-6-4-2-3-5-7-6;6-5(7)3-4-1-2-4;1-2/h2-5H,1H3;4H,1-3H2,(H,6,7);1-2H3.
What are the key properties of 2-cyclopropylacetic acid;ethane;2-methylpyridine?
2-cyclopropylacetic acid;ethane;2-methylpyridine has a molecular weight of 223.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylacetic acid;ethane;2-methylpyridine is sourced from PubChem (CID 145428702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).